N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide

C25H30N4O2 — CID 5131615

IUPACN'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C25H30N4O2/c1-17(2)19(4)26-24(30)14-15-25(31)27-23-16-22(20-8-6-5-7-9-20)28-29(23)21-12-10-18(3)11-13-21/h5-13,16-17,19H,14-15H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyUSYFOQBWIZJZHW-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.73
Rot. Bonds8

About N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide

N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide (PubChem CID 5131615) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide.

Molecular Properties

Compound NameN'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
PubChem CID5131615
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C25H30N4O2/c1-17(2)19(4)26-24(30)14-15-25(31)27-23-16-22(20-8-6-5-7-9-20)28-29(23)21-12-10-18(3)11-13-21/h5-13,16-17,19H,14-15H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyUSYFOQBWIZJZHW-UHFFFAOYSA-N
XLogP4.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
CID 4543622
4-methyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4669802
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 3966020
3,5-dichloro-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3489413
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 4011810
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8893423
N-butyl-3,5,5-trimethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]hexanamide
CID 3894714
4-tert-butyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 5007757
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 1060886
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
2-ethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 5107350

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide?
The IUPAC name of N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide (CID 5131615) is N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide.
What is the SMILES notation for N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide?
The canonical SMILES for N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide is Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCC(=O)NC(C)C(C)C)cc1.
What is the InChIKey of N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide?
The InChIKey is USYFOQBWIZJZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17(2)19(4)26-24(30)14-15-25(31)27-23-16-22(20-8-6-5-7-9-20)28-29(23)21-12-10-18(3)11-13-21/h5-13,16-17,19H,14-15H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide?
N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide has a molecular weight of 418.54 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide is sourced from PubChem (CID 5131615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).